Subject: Plotting Programs

From: "J.P. Northrop" <[email-masked]>
Date: Thu, 1 Jun 1995 10:35:52 -0400 (EDT)

I am looking for a programs that will take 3D coordinates and 
plot them.  The input file is an ASCII text of a series of numbers.  Does 
anyone know of a good program and where I could find it?
	Thanks,

		J.P.
		The College of William and Mary
		[email-masked]

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From: James Crabbe <[email-masked]>
Date: Thu, 1 Jun 1995 16:49:54 +0100 (BST)

DestTopMolecular Modeller (DTMM) available from Oxford University Press, 
will do this and a lot more.  It is avaialable at about $200; contact:
Janet Caldwell, Oxford University Press, Oxford, Walton Street, OX2 6AW, 
tel : 01865 56767.

James Crabbe.

On Thu, 1 Jun 1995, J.P. Northrop wrote:

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From: Craig Taverner <[email-masked]>
Date: Thu, 1 Jun 1995 18:08:23 +0200 (GMT+0200)

> anyone know of a good program and where I could find it?

If your data is molecular then a good program would be SCHAKAL from 
Egbert Keller ([email-masked]).  It is very good at plotting 
molecules using various ball-and-stick and space filling models.
If your data is inorganic crystal data, then ATOMS is good (don't know 
the source off-hand).
If your data is organic crystal data, then the standard is ORTEP, 
available in hundreds of versions/formats for various machines from many 
sources.  There's also PLUTO and many others.

Since I'm a crystallographer, I'm sure I don't know of many other purely 
molecular packages out there.  I'd guess there are VERY MANY.

Cheers, Craig

"If God had meant us to be naked, we would have been born that way."

Craig Taverner
Structural Chemistry, University of the Witwatersrand, South Africa